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Home > Pyridines > 1422132-85-1
1422132-85-1 | (4aR,7aR)-6-methylsulfonyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CAS No: 1422132-85-1 Catalog No: AG01DJ8K MDL No:
Product Description
Catalog Number:
AG01DJ8K
Chemical Name:
(4aR,7aR)-6-methylsulfonyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CAS Number:
1422132-85-1
Molecular Formula:
C8H16N2O2S
Molecular Weight:
204.2898
IUPAC Name:
(4aR,7aR)-6-methylsulfonyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
InChI:
InChI=1S/C8H16N2O2S/c1-13(11,12)10-5-7-3-2-4-9-8(7)6-10/h7-9H,2-6H2,1H3/t7-,8+/m1/s1
InChI Key:
MKQLFVRIIFPHKB-SFYZADRCSA-N
SMILES:
CS(=O)(=O)N1C[C@H]2[C@@H](C1)CCCN2
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
204.093g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.288g/mol
Monoisotopic Mass:
204.093g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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